[1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]methanol

C16H20FN3O — CID 111487470

IUPAC[1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1Cc1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H20FN3O/c17-13-4-6-15(7-5-13)20-10-8-14(18-20)11-19-9-2-1-3-16(19)12-21/h4-8,10,16,21H,1-3,9,11-12H2
InChIKeyOTULVLSFLIQCRM-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.36
Rot. Bonds4

About [1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]methanol

[1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]methanol (PubChem CID 111487470) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is [1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]methanol
PubChem CID111487470
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name[1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1Cc1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H20FN3O/c17-13-4-6-15(7-5-13)20-10-8-14(18-20)11-19-9-2-1-3-16(19)12-21/h4-8,10,16,21H,1-3,9,11-12H2
InChIKeyOTULVLSFLIQCRM-UHFFFAOYSA-N
XLogP2.36
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-2-yl]methanol
CID 60684747
1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904187
[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 62013763
[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]methanol
CID 94336697
[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol
CID 60684976
[(2R)-1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanol
CID 97169575
[1-[(2,6-difluorophenyl)methyl]azepan-2-yl]methanol
CID 114933196
2-(3-fluorophenyl)-1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperazine
CID 120756617
1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-2-yl]ethanamine
CID 63256045
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 64783454
1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 126778598
(2R)-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119913872

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]methanol (CID 111487470) is [1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]methanol is OCC1CCCCN1Cc1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of [1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]methanol?
The InChIKey is OTULVLSFLIQCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c17-13-4-6-15(7-5-13)20-10-8-14(18-20)11-19-9-2-1-3-16(19)12-21/h4-8,10,16,21H,1-3,9,11-12H2.
What are the key properties of [1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]methanol?
[1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]methanol has a molecular weight of 289.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 111487470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).